3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide

C23H30N2O2 — CID 113122274

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(CCCc1ccccc1)C(C)=O
InChIInChI=1S/C23H30N2O2/c1-4-21-14-8-10-18(2)23(21)24-22(27)15-17-25(19(3)26)16-9-13-20-11-6-5-7-12-20/h5-8,10-12,14H,4,9,13,15-17H2,1-3H3,(H,24,27)
InChIKeyBHJVQKTVNGLOEM-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.37
Rot. Bonds9

About 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide

3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 113122274) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID113122274
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(CCCc1ccccc1)C(C)=O
InChIInChI=1S/C23H30N2O2/c1-4-21-14-8-10-18(2)23(21)24-22(27)15-17-25(19(3)26)16-9-13-20-11-6-5-7-12-20/h5-8,10-12,14H,4,9,13,15-17H2,1-3H3,(H,24,27)
InChIKeyBHJVQKTVNGLOEM-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
CID 113152755
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113117900
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113118645
3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122716
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837342
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113164231
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide (CID 113122274) is 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCN(CCCc1ccccc1)C(C)=O.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is BHJVQKTVNGLOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-21-14-8-10-18(2)23(21)24-22(27)15-17-25(19(3)26)16-9-13-20-11-6-5-7-12-20/h5-8,10-12,14H,4,9,13,15-17H2,1-3H3,(H,24,27).
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 113122274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).